1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea

C10H17FN2O — CID 25052106

IUPAC1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea
SMILESCC1=C(C)C(NC(=O)NCCF)CC1
InChIInChI=1S/C10H17FN2O/c1-7-3-4-9(8(7)2)13-10(14)12-6-5-11/h9H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyYFECZZNBCJOVTQ-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.75
Rot. Bonds3

About 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea

1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea (PubChem CID 25052106) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea
PubChem CID25052106
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea
SMILESCC1=C(C)C(NC(=O)NCCF)CC1
InChIInChI=1S/C10H17FN2O/c1-7-3-4-9(8(7)2)13-10(14)12-6-5-11/h9H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyYFECZZNBCJOVTQ-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea?
The IUPAC name of 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea (CID 25052106) is 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea is CC1=C(C)C(NC(=O)NCCF)CC1.
What is the InChIKey of 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea?
The InChIKey is YFECZZNBCJOVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-7-3-4-9(8(7)2)13-10(14)12-6-5-11/h9H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea?
1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea has a molecular weight of 200.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopent-2-en-1-yl)-3-(2-fluoroethyl)urea is sourced from PubChem (CID 25052106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).